Found 67 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1028-1200,1251-1711]' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229525
(US9334279, 1001)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1 |r,c:42| Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29-,31?,34-,38+,39+,46-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229526
(US9334279, 1002)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1 |r,c:42| Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29+,31?,34+,38-,39-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 11.6 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229527
(US9334279, 1003)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1 |r,c:42| Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-19-32(20-35(51-34)37-23-50-25-65-37)63-33-21-36-39(56)53-45(41(58)54-66(60,61)44(7)16-17-44)22-30(45)11-9-8-10-27(3)18-28(4)38(40(57)55(36)24-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,19-20,23,25-28,30,33,36,38H,8,10,16-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28-,30?,33-,36+,38+,45-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229529
(US9334279, 1005)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.71 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229530
(US9334279, 1006)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229532
(US9334279, 1008)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1 |r,c:42| Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-21-32(22-35(51-34)39-50-18-19-65-39)63-33-23-36-38(56)53-45(41(58)54-66(60,61)44(7)16-17-44)24-30(45)11-9-8-10-27(3)20-28(4)37(40(57)55(36)25-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,18-19,21-22,26-28,30,33,36-37H,8,10,16-17,20,23-25H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28+,30?,33+,36-,37-,45+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229533
(US9334279, 1009)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccncc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229535
(US9334279, 1011)Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1 |r,c:40| Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30-,32?,35-,39+,41+,48-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229536
(US9334279, 1012)Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1 |r,c:40| Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30+,32?,35+,39-,41-,48+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229538
(US9334279, 1014)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-n1cccn1 |r,c:42| Show InChI InChI=1S/C46H58F3N7O9S/c1-27(2)63-32-15-13-30(14-16-32)35-22-33(24-37(51-35)56-20-10-19-50-56)64-34-23-36-39(57)53-45(41(59)54-66(61,62)44(7)17-18-44)25-31(45)12-9-8-11-28(3)21-29(4)38(40(58)55(36)26-34)52-42(60)65-43(5,6)46(47,48)49/h9-10,12-16,19-20,22,24,27-29,31,34,36,38H,8,11,17-18,21,23,25-26H2,1-7H3,(H,52,60)(H,53,57)(H,54,59)/b12-9-/t28-,29+,31?,34+,36-,38-,45+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229539
(US9334279, 1015)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,30+,37-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229541
(US9334279, 1017)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1 |r,c:46| Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,40+,46?,47-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.820 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229542
(US9334279, 1018)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1 |r,c:46| Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30+,32?,35+,38-,40-,46?,47+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229543
(US9334279, 1019)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1 |r,c:42| Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29-,31?,34-,37+,38+,46-/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229544
(US9334279, 1020)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1 |r,c:42| Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29+,31?,34+,37-,38-,46+/m0/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229545
(US9334279, 1021)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,32?,35-,39+,40+,47-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229546
(US9334279, 1022)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,32?,35+,39-,40-,47+/m0/s1 | PDB
UniProtKB/SwissProt
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229547
(US9334279, 1023)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23-,24?,26-,29+,30+,39-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229548
(US9334279, 1024)Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23+,24?,26+,29-,30-,39+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229549
(US9334279, 1025)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-23-19-36(23,32(49)45-56(51,52)35(5)11-12-35)44-29(47)27-18-25(53-24-10-13-41-26(17-24)30-42-14-15-55-30)20-46(27)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-23,25,27-28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,23?,25-,27+,28+,36-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229550
(US9334279, 1026)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1 |r,c:4| Show InChI InChI=1S/C33H43ClF3N5O8S/c1-18-7-5-6-8-20-16-32(20,29(45)41-51(47,48)23-9-10-23)40-27(43)24-15-22(49-25-14-21(34)11-12-38-25)17-42(24)28(44)26(19(2)13-18)39-30(46)50-31(3,4)33(35,36)37/h6,8,11-12,14,18-20,22-24,26H,5,7,9-10,13,15-17H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b8-6-/t18-,19-,20?,22-,24+,26+,32-/m1/s1 | PDB
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| PC cid
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| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229551
(US9334279, 1027)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1 |r,c:45| Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26-,28?,31-,33+,35+,42-/m1/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229553
(US9334279, 1029)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1 |r,c:42| Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27-,29?,32-,34+,36+,43-/m1/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229554
(US9334279, 1030)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1 |r,c:42| Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27+,29?,32+,34-,36-,43+/m0/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229556
(US9334279, 1032 | US9334279, 1061)Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229557
(US9334279, 1033)Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8| Show InChI InChI=1S/C46H57F3N6O10S2/c1-8-36-38(52-42(59)65-43(5,6)46(47,48)49)40(57)55-24-32(64-31-19-33(51-34(20-31)37-23-50-25-66-37)28-13-15-30(16-14-28)62-26(2)3)21-35(55)39(56)53-45(22-29(45)12-10-9-11-27(4)63-36)41(58)54-67(60,61)44(7)17-18-44/h10,12-16,19-20,23,25-27,29,32,35-36,38H,8-9,11,17-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b12-10-/t27-,29?,32-,35+,36+,38+,45-/m1/s1 | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229559
(US9334279, 1035)Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8| Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-38-39(54-44(61)68-46(48(49,50)51)16-9-20-64-27-46)42(59)57-26-34(67-33-22-35(53-36(23-33)41-52-19-21-69-41)30-12-14-32(15-13-30)65-28(2)3)24-37(57)40(58)55-47(25-31(47)11-8-7-10-29(4)66-38)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,19,21-23,28-29,31,34,37-39H,6-7,9-10,16-18,20,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,37+,38+,39+,46?,47-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229560
(US9334279, 1036)Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cscn1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8| Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-39-40(54-44(61)68-46(48(49,50)51)16-9-19-64-26-46)42(59)57-24-34(67-33-20-35(53-36(21-33)37-25-69-27-52-37)30-12-14-32(15-13-30)65-28(2)3)22-38(57)41(58)55-47(23-31(47)11-8-7-10-29(4)66-39)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,20-21,25,27-29,31,34,38-40H,6-7,9-10,16-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,38+,39+,40+,46?,47-/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229562
(US9334279, 1038)Show SMILES CC[C@@H]1OCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:7| Show InChI InChI=1S/C47H57F3N6O11S2/c1-5-37-39(53-43(60)67-45(47(48,49)50)15-9-18-63-26-45)41(58)56-25-33(66-32-20-34(52-35(21-32)38-24-51-27-68-38)29-11-13-31(14-12-29)65-28(2)3)22-36(56)40(57)54-46(23-30(46)10-7-6-8-19-64-37)42(59)55-69(61,62)44(4)16-17-44/h7,10-14,20-21,24,27-28,30,33,36-37,39H,5-6,8-9,15-19,22-23,25-26H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b10-7-/t30?,33-,36+,37+,39+,45?,46-/m1/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229563
(US9334279, 1039)Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8| Show InChI InChI=1S/C44H50F6N6O9S2/c1-6-33-34(53-39(60)65-40(3,4)44(48,49)50)37(58)56-23-29(64-28-19-30(52-31(20-28)36-51-17-18-66-36)25-11-13-26(14-12-25)43(45,46)47)21-32(56)35(57)54-42(22-27(42)10-8-7-9-24(2)63-33)38(59)55-67(61,62)41(5)15-16-41/h8,10-14,17-20,24,27,29,32-34H,6-7,9,15-16,21-23H2,1-5H3,(H,53,60)(H,54,57)(H,55,59)/b10-8-/t24-,27?,29-,32+,33+,34+,42-/m1/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229565
(US9334279, 1041)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1 |r,c:46| Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-22-34(23-37(53-36)41-52-18-20-68-41)66-35-24-38-40(58)55-47(43(60)56-69(62,63)45(5)16-17-45)25-32(47)10-7-6-9-29(3)21-30(4)39(42(59)57(38)26-35)54-44(61)67-46(48(49,50)51)15-8-19-64-27-46/h7,10-14,18,20,22-23,28-30,32,35,38-39H,6,8-9,15-17,19,21,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,39+,46?,47-/m1/s1 | PDB
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229567
(US9334279, 1043)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1ncc(C)s1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-19-23(3)56-31)20-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,19,21-22,24,26,28-29H,7,9,12-13,15,17-18,20H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1 | PDB
UniProtKB/SwissProt
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| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229569
(US9334279, 1045)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-23(3)20-56-31)19-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,20-22,24,26,28-29H,7,9,12-13,15,17-19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229570
(US9334279, 1046)Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1 |r,c:42| Show InChI InChI=1S/C45H56F3N7O9S2/c1-25(2)62-35-13-12-28(23-50-35)32-19-30(20-33(51-32)38-49-16-17-65-38)63-31-21-34-37(56)53-44(40(58)54-66(60,61)43(7)14-15-43)22-29(44)11-9-8-10-26(3)18-27(4)36(39(57)55(34)24-31)52-41(59)64-42(5,6)45(46,47)48/h9,11-13,16-17,19-20,23,25-27,29,31,34,36H,8,10,14-15,18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t26-,27-,29?,31-,34+,36+,44-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229571
(US9334279, 1047)Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1 |r,c:46| Show InChI InChI=1S/C47H58F3N7O10S2/c1-27(2)65-37-12-11-30(24-52-37)34-20-32(21-35(53-34)40-51-16-18-68-40)66-33-22-36-39(58)55-46(42(60)56-69(62,63)44(5)14-15-44)23-31(46)10-7-6-9-28(3)19-29(4)38(41(59)57(36)25-33)54-43(61)67-45(47(48,49)50)13-8-17-64-26-45/h7,10-12,16,18,20-21,24,27-29,31,33,36,38H,6,8-9,13-15,17,19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t28-,29-,31?,33-,36+,38+,45?,46-/m1/s1 | PDB
UniProtKB/SwissProt
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| US Patent
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229573
(US9334279, 1049)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C44H52F3N7O9S2/c1-26-8-4-5-10-29-22-43(29,39(57)53-65(59,60)41(3)12-13-41)52-36(55)34-21-31(62-30-19-32(28-9-6-14-48-23-28)50-33(20-30)37-49-15-17-64-37)24-54(34)38(56)35(27(2)18-26)51-40(58)63-42(44(45,46)47)11-7-16-61-25-42/h5-6,9-10,14-15,17,19-20,23,26-27,29,31,34-35H,4,7-8,11-13,16,18,21-22,24-25H2,1-3H3,(H,51,58)(H,52,55)(H,53,57)/b10-5-/t26-,27-,29?,31-,34+,35+,42?,43-/m1/s1 | PDB
UniProtKB/SwissProt
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229574
(US9334279, 1050)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C42H50F3N7O8S2/c1-24-9-6-7-11-27-21-41(27,37(55)51-62(57,58)40(5)12-13-40)50-34(53)32-20-29(23-52(32)36(54)33(25(2)17-24)49-38(56)60-39(3,4)42(43,44)45)59-28-18-30(26-10-8-14-46-22-26)48-31(19-28)35-47-15-16-61-35/h7-8,10-11,14-16,18-19,22,24-25,27,29,32-33H,6,9,12-13,17,20-21,23H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b11-7-/t24-,25-,27?,29-,32+,33+,41-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229576
(US9334279, 1052)Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cscn1 |r,c:46| Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)38-25-68-27-52-38)66-35-22-39-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(39)24-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,25,27-30,32,35,39-40H,6,8-9,15-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,39+,40+,46?,47-/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229577
(US9334279, 1053)Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1CC1 |r,c:8| Show InChI InChI=1S/C44H50F6N6O8S2/c1-5-25-18-24(2)8-6-7-9-28-22-42(28,39(59)55-66(61,62)31-14-15-31)54-36(57)34-21-30(23-56(34)38(58)35(25)53-40(60)64-41(3,4)44(48,49)50)63-29-19-32(52-33(20-29)37-51-16-17-65-37)26-10-12-27(13-11-26)43(45,46)47/h7,9-13,16-17,19-20,24-25,28,30-31,34-35H,5-6,8,14-15,18,21-23H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b9-7-/t24-,25-,28?,30-,34+,35+,42-/m1/s1 | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229579
(US9334279, 1055)Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:8| Show InChI InChI=1S/C39H51F3N6O8S2/c1-7-24-16-22(2)10-8-9-11-25-19-38(25,34(51)47-58(53,54)37(6)13-14-37)46-31(49)29-18-27(55-26-12-15-43-28(17-26)32-44-23(3)21-57-32)20-48(29)33(50)30(24)45-35(52)56-36(4,5)39(40,41)42/h9,11-12,15,17,21-22,24-25,27,29-30H,7-8,10,13-14,16,18-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/b11-9-/t22-,24-,25?,27-,29+,30+,38-/m1/s1 | PDB
UniProtKB/SwissProt
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Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229580
(US9334279, 1056)Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(OC)nc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1 |r,c:8| Show InChI InChI=1S/C38H49F3N6O9S2/c1-6-22-15-21(2)9-7-8-10-23-19-37(23,34(50)46-58(52,53)26-11-12-26)45-31(48)28-17-25(55-24-16-27(32-42-13-14-57-32)43-29(18-24)54-5)20-47(28)33(49)30(22)44-35(51)56-36(3,4)38(39,40)41/h8,10,13-14,16,18,21-23,25-26,28,30H,6-7,9,11-12,15,17,19-20H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,23?,25-,28+,30+,37-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229581
(US9334279, 1057)Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1 |r,c:8| Show InChI InChI=1S/C48H60N6O9S2/c1-5-29-18-28(4)8-6-7-9-33-25-48(33,46(57)53-65(59,60)38-14-15-38)52-43(55)41-24-37(26-54(41)45(56)42(29)51-47(58)63-35-20-31-19-32(31)21-35)62-36-22-39(50-40(23-36)44-49-16-17-64-44)30-10-12-34(13-11-30)61-27(2)3/h7,9-13,16-17,22-23,27-29,31-33,35,37-38,41-42H,5-6,8,14-15,18-21,24-26H2,1-4H3,(H,51,58)(H,52,55)(H,53,57)/b9-7-/t28-,29-,31-,32+,33?,35+,37-,41+,42+,48-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229583
(US9334279, 1059)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccc(C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C44H53F3N6O8S2/c1-25-11-13-28(14-12-25)32-20-30(21-33(49-32)37-48-17-18-62-37)60-31-22-34-36(54)51-43(39(56)52-63(58,59)42(6)15-16-42)23-29(43)10-8-7-9-26(2)19-27(3)35(38(55)53(34)24-31)50-40(57)61-41(4,5)44(45,46)47/h8,10-14,17-18,20-21,26-27,29,31,34-35H,7,9,15-16,19,22-24H2,1-6H3,(H,50,57)(H,51,54)(H,52,56)/b10-8-/t26-,27-,29?,31-,34+,35+,43-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229584
(US9334279, 1060)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccccc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C43H51F3N6O8S2/c1-25-11-9-10-14-28-23-42(28,38(55)51-62(57,58)41(5)15-16-41)50-35(53)33-22-30(24-52(33)37(54)34(26(2)19-25)49-39(56)60-40(3,4)43(44,45)46)59-29-20-31(27-12-7-6-8-13-27)48-32(21-29)36-47-17-18-61-36/h6-8,10,12-14,17-18,20-21,25-26,28,30,33-34H,9,11,15-16,19,22-24H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b14-10-/t25-,26-,28?,30-,33+,34+,42-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229556
(US9334279, 1032 | US9334279, 1061)Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229555
(US9334279, 1031 | US9334279, 1062)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229587
(US9334279, 1063)Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1 |r,c:8| Show InChI InChI=1S/C37H47F3N6O8S2/c1-5-22-16-21(2)8-6-7-9-24-18-36(24,33(49)45-56(51,52)26-11-12-26)44-30(47)27-17-25(53-28-13-10-23(19-42-28)31-41-14-15-55-31)20-46(27)32(48)29(22)43-34(50)54-35(3,4)37(38,39)40/h7,9-10,13-15,19,21-22,24-27,29H,5-6,8,11-12,16-18,20H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,27+,29+,36-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3.51 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229588
(US9334279, 1064)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-18-36(24,32(49)45-56(51,52)35(5)12-13-35)44-29(47)26-17-25(53-27-11-10-23(19-42-27)30-41-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-11,14-15,19,21-22,24-26,28H,6,8,12-13,16-18,20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229589
(US9334279, 1065)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)Oc1ncccc1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C35H48F3N5O8S/c1-20-10-7-8-11-22-18-34(22,30(46)42-52(48,49)33(6)13-14-33)41-27(44)25-17-23(50-28-24(35(36,37)38)12-9-15-39-28)19-43(25)29(45)26(21(2)16-20)40-31(47)51-32(3,4)5/h8-9,11-12,15,20-23,25-26H,7,10,13-14,16-19H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b11-8-/t20-,21-,22?,23-,25+,26+,34-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
Genome polyprotein [1028-1200,1251-1711]
(Hepatitis C virus genotype 1b (strain J4L2S) (HCV)) | BDBM229590
(US9334279, 1066)Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ncccc1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:4| Show InChI InChI=1S/C35H45F6N5O8S/c1-19-9-6-7-10-21-17-33(21,29(49)45-55(51,52)32(5)12-13-32)44-26(47)24-16-22(53-27-23(34(36,37)38)11-8-14-42-27)18-46(24)28(48)25(20(2)15-19)43-30(50)54-31(3,4)35(39,40)41/h7-8,10-11,14,19-22,24-25H,6,9,12-13,15-18H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b10-7-/t19-,20-,21?,22-,24+,25+,33-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| |
US Patent US9334279 (2016)
BindingDB Entry DOI: 10.7270/Q2BR8R1W |
More data for this
Ligand-Target Pair | |
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